SCHEMBL24309257

SCHEMBL24309257

CC(C)c1ccccc1-c1cc(OCC2CC2)nc(NSc2cccc(N)c2)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 3/20 0.33
▸ CDK2 P24941 4/20 0.32
▸ CCNA2 P20248 3/20 0.32
▸ CCNA1 P78396 3/20 0.32
▸ WDR48 Q8TAF3 1/20 0.32
▸ DHFR P00374 1/20 0.31
▸ C5AR1 P21730 1/20 0.31
▸ CDK1 P06493 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26806781 0.81 POLB (0.37) USP1CDK2CCNA2CCNA1CDK1
SCHEMBL29566848 0.81 POLB (0.37) USP1CDK2CCNA2CCNA1CDK1
SCHEMBL24310447 0.79 USP1 (0.33) USP1WDR48
SCHEMBL24309696 0.79 HSP90AA1 (0.35) USP1WDR48DHFR
SCHEMBL24309699 0.77 F2 (0.32) —
SCHEMBL24309262 0.76 CDK2 (0.32) USP1CDK2WDR48
SCHEMBL24309736 0.75 CDK2 (0.32) USP1CDK2WDR48
SCHEMBL24310509 0.75 CDK2 (0.32) USP1CDK2WDR48
SCHEMBL24309230 0.73 EGFR (0.32) —
SCHEMBL24310109 0.70 LMNA (0.38) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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